2-adamantyl(triethyl)azanium

C16H30N+ — CID 14054655

IUPAC2-adamantyl(triethyl)azanium
SMILESCC[N+](CC)(CC)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H30N/c1-4-17(5-2,6-3)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,4-11H2,1-3H3/q+1
InChIKeyPVESGYVHGRYUSF-UHFFFAOYSA-N
MW236.42 g/mol
LogP3.69
Rot. Bonds4

About 2-adamantyl(triethyl)azanium

2-adamantyl(triethyl)azanium (PubChem CID 14054655) has the molecular formula C16H30N+ and a molecular weight of 236.42 g/mol. Its IUPAC name is 2-adamantyl(triethyl)azanium.

Molecular Properties

Compound Name2-adamantyl(triethyl)azanium
PubChem CID14054655
Molecular FormulaC16H30N+
Molecular Weight236.42 g/mol
Exact Mass236.24
IUPAC Name2-adamantyl(triethyl)azanium
SMILESCC[N+](CC)(CC)C1C2CC3CC(C2)CC1C3
InChIInChI=1S/C16H30N/c1-4-17(5-2,6-3)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,4-11H2,1-3H3/q+1
InChIKeyPVESGYVHGRYUSF-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.42
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-adamantyl(triethyl)azanium?
The IUPAC name of 2-adamantyl(triethyl)azanium (CID 14054655) is 2-adamantyl(triethyl)azanium.
What is the SMILES notation for 2-adamantyl(triethyl)azanium?
The canonical SMILES for 2-adamantyl(triethyl)azanium is CC[N+](CC)(CC)C1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantyl(triethyl)azanium?
The InChIKey is PVESGYVHGRYUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N/c1-4-17(5-2,6-3)16-14-8-12-7-13(10-14)11-15(16)9-12/h12-16H,4-11H2,1-3H3/q+1.
What are the key properties of 2-adamantyl(triethyl)azanium?
2-adamantyl(triethyl)azanium has a molecular weight of 236.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantyl(triethyl)azanium is sourced from PubChem (CID 14054655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).